SCHEMBL17286332

SCHEMBL17286332

COC(=O)NC(C(C)=O)C(C)(C)F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15898007 0.83 GAA (0.33) GAA
SCHEMBL12661104 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3265209 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3265337 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL890112 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13160461 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL18430748 0.80 GAA (0.31) GAA
SCHEMBL3266622 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3268560 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL15889421 0.79 GAA (0.36) GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018035005-A1 HETEROCYCLE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2018-02-22 WO disclosed
US-9555038-B2 Heterocycle-substituted tetracyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-01-31 US disclosed
US-20160257697-A1 THIOPHENE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OFUSE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2016-09-08 US disclosed
US-20150335648-A1 HETEROCYCLE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160257697-A1 THIOPHENE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OFUSE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, TPMT, RPL35 GAA 1273/4885ALDH1A1 301/4885
US-20150335648-A1 HETEROCYCLE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, HCCS, CYP3A43 GAA 852/4885ALDH1A1 252/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.